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SMILES: O=C(N[C@@H](CNC[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1ccccc1)OCc1cncs1

InChI Key: InChIKey=FZIDUWWIFBUCIN-DNQXCXABSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50310750   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50310750
PNG
(Bis-N-[(R)-2-(thiazol-5-ylmethoxycarbonylamino)-3-...)
Show SMILES O=C(N[C@@H](CNC[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1ccccc1)OCc1cncs1 |r|
Show InChI InChI=1S/C28H31N5O4S2/c34-27(36-18-25-17-30-20-39-25)32-23(13-21-7-3-1-4-8-21)15-29-16-24(14-22-9-5-2-6-10-22)33-28(35)37-19-26-31-11-12-38-26/h1-12,17,20,23-24,29H,13-16,18-19H2,(H,32,34)(H,33,35)/t23-,24-/m1/s1
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MMDB

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n/an/a 99n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline

Bioorg Med Chem Lett 19: 5444-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.118
BindingDB Entry DOI: 10.7270/Q21R6QN0
More data for this
Ligand-Target Pair